SCHEMBL2814835

SCHEMBL2814835

NCc1cccc(CN2C(=O)C[CH]C2C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.42
NCF1 P14598 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NOS3 P29474 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
ENPP2 Q13822 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BDKRB2 P30411 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7415511 0.83 SIRT2 (0.50) KLKB1KLK1ALDH1A1SIRT2SIRT1
SCHEMBL28316798 0.74 GYS1 (0.52) PRMT6CYP3A4CYP2C9CYP2C19
SCHEMBL7204285 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL27477777 0.68 PRMT6 (0.49) PRMT6NCF1HRH3SIRT2SIRT1
SCHEMBL21851831 0.66 PRMT6 (0.56) PRMT6NCF1KLKB1KLK1NOS1
SCHEMBL5551188 0.66 PRMT6 (0.49) PRMT6NCF1KLKB1KLK1NOS1
Bicarbonate SCHEMBL31055574 0.65 LOXL2 (0.62) PRMT6NOS1NOS2ALDH1A1NOS3
SCHEMBL2814838 0.64 PRMT6 (0.46) PRMT6NCF1ALDH1A1
SCHEMBL29809842 0.64 PNMT (0.58) PRMT6NOS1NOS2ALDH1A1NOS3
SCHEMBL11010729 0.63 L3MBTL1 (0.58) PRMT6NCF1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363668-B1 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2007-08-15 EP claimed
EP-1810693-A2 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions Shering Corporation (US) 2007-07-25 EP claimed
EP-1353694-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS Schering Corporation (US) 2003-10-22 EP claimed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US claimed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO claimed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-1606287-B1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS GILBERT ERIC J (US) 2013-03-21 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 US disclosed
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia SCHERING CORPORATION 2002-11-14 US disclosed
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-10-17 US disclosed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US disclosed
WO-2002058732-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) ACTIVATOR(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058685-A2 COMBINATIONS OF NICOTINIC ACID AND DERIVATIVES THEREOF AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058696-A2 THE USE OF SUBSTITUTED AZETIDINONE COMPOUNDS FOR THE TREATMENT OF SITOSTEROLEMIA SCHERING CORPORATION (US) 2002-08-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 PRMT6 3090/4885NCF1 1971/4885HRH3 932/4885
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications PPARG, PPARA, PPARD PRMT6 3068/4885NCF1 3442/4885HRH3 3746/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 PRMT6 3090/4885NCF1 1971/4885HRH3 932/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 PRMT6 2354/4885NCF1 2501/4885HRH3 3445/4885
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia CYP46A1, CYP27A1, CYP51A1 PRMT6 3468/4885NCF1 3191/4885HRH3 4370/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.